input word = C00004187

Metabolite InformationStructural formula
Name Apigenin 7-(4'',6''-di-p-coumarylglucoside)
Formula C39H32O14
Mw 724.17920573
CAS RN 87562-09-2
C_ID C00004187 ,
InChIKey DMAQFLQMQDZICP-LMPWFMPONA-N
InChICode InChI=1S/C39H32O14/c40-24-9-1-21(2-10-24)5-15-33(45)49-20-32-38(53-34(46)16-6-22-3-11-25(41)12-4-22)36(47)37(48)39(52-32)50-27-17-28(43)35-29(44)19-30(51-31(35)18-27)23-7-13-26(42)14-8-23/h1-19,32,36-43,47-48H,20H2/b15-5+,16-6+/t32-,36-,37-,38-,39-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeAnisomeles ovata Ref.
zoom in